1-乙基-2-甲基-3-硝基-苯 | 102877-99-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-乙基-2-甲基-3-硝基-苯
• 英文名称: 1-ethyl-2-methyl-3-nitro-benzene
• 英文别名: 1-Aethyl-2-methyl-3-nitro-benzol；1-Ethyl-2-methyl-3-nitrobenzene
• CAS: 102877-99-6
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: RRGZCPBAIVCVTA-UHFFFAOYSA-N

物化性质

• 沸点：
  245 °C
• 密度：
  1.098±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-乙基-2-甲基-3-硝基-苯 在 sodium hydroxide 、 sodium dithionite 作用下， 生成 3-ethyl-2-methylaniline
  参考文献：
  名称：

  Dollinsky et al., Journal of the Association of Official Agricultural Chemists, 1959, vol. 42, p. 709,716

  摘要：

  DOI：
• 作为产物：
  描述：

  3-乙基甲苯 在 硫酸 、 硝酸 作用下， 生成 2-乙基-1-甲基-3-硝基-苯 、 1-乙基-2-甲基-3-硝基-苯
  参考文献：
  名称：

  Dollinsky et al., Journal of the Association of Official Agricultural Chemists, 1959, vol. 42, p. 709,716

  摘要：

  DOI：

文献信息

• METHOD FOR PRODUCING NITRO COMPOUND
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160318846A1

  公开（公告）日：2016-11-03

  A nitro compound represented by formula (1) which is a raw material for producing a compound represented by formula (7) can be produced by reacting at least one type selected from the group consisting of a compound represented by formula (2), a compound represented by formula (3), and a compound represented by formula (3′) with a compound represented by formula (4). [In the formula, R 1 , R 2 , R 3 , and R 4 are each independently a hydrogen atom, etc., X 1 and X 2 are each independently a chlorine atom, etc., R 6 , R 7 , R 8 , and R 9 are a hydrogen atom, etc., provided that X 1 , X 2 , R 6 , R 7 , R 8 , and R 9 are not all the same, X 3 , X 4 , and X 5 are a halogen atom, R 10 is a nitro group, etc., R 5 is an alkyl group having 1 to 12 carbon atoms, etc., and M is an alkali metal atom.]

  公式（1）代表的一种硝基化合物是生产公式（7）代表的化合物的原料，可以通过将代表的化合物（2）、代表的化合物（3）、和代表的化合物（3'）中至少一种与代表的化合物（4）反应来生产。[在公式中，R1、R2、R3和R4分别独立地是氢原子等，X1和X2分别独立地是氯原子等，R6、R7、R8和R9是氢原子等，条件是X1、X2、R6、R7、R8和R9不全相同，X3、X4和X5是卤素原子，R10是硝基团等，R5是具有1至12个碳原子的烷基团等，M是碱金属原子。]
• TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS
  申请人：BROWN James

  公开号：US20130158034A1

  公开（公告）日：2013-06-20

  Compounds of Formula I are useful as antagonists of TRPM8. Such compounds are useful in treating a number of TRPM8 mediated disorders and conditions and may be used to prepare medicaments and pharmaceutical compositions useful for treating such disorders and conditions. Examples of such disorders include, but are not limited to, migraines and neuropathic pain. Compounds of Formula I have the following structure: where the definitions of the variables are provided herein.

  式I的化合物是TRPM8拮抗剂，对于治疗许多TRPM8介导的疾病和症状有用，并可用于制备治疗此类疾病和症状的药物和制剂。此类疾病的例子包括但不限于偏头痛和神经病性疼痛。式I的化合物具有以下结构：其中变量的定义在此提供。
• BENZAZEPINE COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：EP2546255A1

  公开（公告）日：2013-01-16

  [Problem] Provided is a compound which is useful as an agent for treating or preventing 5-HT2C receptor-related diseases, particularly incontinence such as stress urinary incontinence, urge urinary incontinence, mixed urinary incontinence, and the like, sexual dysfunction such as erectile dysfunction syndrome and the like, obesity, and the like. [Means for Solution] The present inventors have investigated compounds having a 5-HT2C receptor agonist activity, which is promising as an active ingredient of a pharmaceutical composition for treating or preventing incontinence such as stress urinary incontinence, urge urinary incontinence, mixed urinary incontinence, and the like, sexual dysfunction such as erectile dysfunction syndrome and the like, obesity, and the like, and have found that the benzazepine compounds of the present invention have an excellent 5-HT2C receptor agonist activity, thereby completing the present invention. That is, the benzazepine compounds of the present invention have a 5-HT2C receptor agonist activity and can be used as an agent for treating or preventing 5-HT2C receptor-related diseases, particularly incontinence such as stress urinary incontinence, urge urinary incontinence, mixed urinary incontinence, and the like, sexual dysfunction such as erectile dysfunction syndrome and the like, obesity, and the like.

  [问题]提供了一种化合物，该化合物可作为治疗或预防5-HT2C受体相关疾病的药物，特别是尿失禁，如压力性尿失禁、急迫性尿失禁、混合性尿失禁等，性功能障碍，如勃起功能障碍综合征等，肥胖等。 [解决方法]本发明者研究了具有 5-HT2C 受体激动剂活性的化合物，该化合物有望作为药物组合物的活性成分用于治疗或预防尿失禁，如压力性尿失禁、急迫性尿失禁、混合性尿失禁等、混合性尿失禁等、勃起功能障碍综合征等性功能障碍、肥胖症等，并发现本发明的苯并氮杂卓化合物具有优异的 5-HT2C 受体激动剂活性，从而完成了本发明。也就是说，本发明的苯并氮杂卓化合物具有5-HT2C受体激动剂活性，可用作治疗或预防5-HT2C受体相关疾病的制剂，特别是压力性尿失禁、急迫性尿失禁、混合性尿失禁等尿失禁，勃起功能障碍综合征等性功能障碍，肥胖症等。
• GASOLINE PRODUCT CONTAINING COMBUSTION IMPROVER AND MANUFACTURING METHOD THEREFOR
  申请人：Zhou, Xiangjin

  公开号：EP3216845A1

  公开（公告）日：2017-09-13

  A gasoline product containing a combustion improver and a manufacturing method therefor. A combustion improver is added to gasoline to reduce an ignition point of the gasoline, so that the gasoline product can be applied to a compression ignition engine. Content of the combustion improver is controlled according to a value of octane in base gasoline, so as to implement homogeneity of a nitrogen oxygen equivalent contained in the gasoline product. The combustion improver is selected from at least one of ammonium nitrate and a derivative thereof, nitric acid ester and a derivative thereof, aniline and a derivative thereof, and nitrobenzene and a derivative thereof.

  一种含有燃烧改进剂的汽油产品及其制造方法。 将燃烧改进剂添加到汽油中，以降低汽油的燃点，从而使汽油产品可用于压燃式发动机。 燃烧改进剂的含量根据基础汽油中辛烷值进行控制，以实现汽油产品中所含氮氧当量的均匀性。 燃烧改进剂至少选自硝酸铵及其衍生物、硝酸酯及其衍生物、苯胺及其衍生物和硝基苯及其衍生物中的一种。
• Gasoline product containing combustion improver and manufacturing method therefor
  申请人：Zhou (Beijing) Automotive Technology Co., Ltd.

  公开号：US10995289B2

  公开（公告）日：2021-05-04

  Provided is a gasoline product containing a combustion improver, and a method for preparing the gasoline product. The combustion improver is added to gasoline to reduce an octane number and thus an ignition point of the gasoline, so that the gasoline product can be used in a compression ignition internal combustion engine. The combustion improver-containing gasoline product is a low-octane number gasoline, and is capable of being ignited through compression by an internal combustion engine having a compression ratio in the range from 12 to 22.

  本文提供了一种含有燃烧改进剂的汽油产品和一种制备该汽油产品的方法。将燃烧改进剂添加到汽油中可降低辛烷值，从而降低汽油的燃点，使汽油产品可用于压燃式内燃机。含燃烧改进剂的汽油产品是一种低辛烷值汽油，能够被压缩比在 12 到 22 之间的内燃机通过压缩点燃。